Cui Ting, Ding Jiandong, Chen Jeff Z Y
Key Laboratory of Molecular Engineering of Polymers of Ministry of Education, Department of Macromolecular Science, Advanced Materials Laboratory, Fudan University, Shanghai 200433, China.
Phys Rev E Stat Nonlin Soft Matter Phys. 2008 Dec;78(6 Pt 1):061802. doi: 10.1103/PhysRevE.78.061802. Epub 2008 Dec 29.
Monte Carlo simulations are presented for the observation of the dynamics of a self-avoiding polymer in three types of confinement: slit, tube, and cube. We pay special attention to the parameter regime where the characteristic confinement dimension is smaller than the radius of gyration of the unconfined polymer. On the basis of the bond-fluctuation model, we measured the rotation time of the end-to-end vector of the polymer, the diffusion time for the center of the polymer to move a distance comparable to the root mean square end-to-end distance, and the looping time for the ends of the polymer to approach each other from an open position. As functions of the confinement width and polymer length, these three time scales are discussed in light of scaling theories.
本文给出了蒙特卡罗模拟结果，用于观察自回避聚合物在三种限制条件下的动力学行为：狭缝、管和立方体。我们特别关注特征限制尺寸小于无限制聚合物回转半径的参数区域。基于键涨落模型，我们测量了聚合物端到端向量的旋转时间、聚合物中心移动距离与均方根端到端距离相当的扩散时间，以及聚合物两端从开放位置相互靠近的环化时间。作为限制宽度和聚合物长度的函数，根据标度理论对这三个时间尺度进行了讨论。
